SCHEMBL20174358

SCHEMBL20174358

c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4oc6ccccc6c4-5)cc3)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 3/20 0.36
HPGD P15428 3/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK2 Q15119 3/20 0.33
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20174345 0.97 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL20174353 0.95 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL20174723 0.94 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL20174354 0.94 PDK2 (0.37) ALDH1A1MAPTHPGDTSHRL3MBTL1
SCHEMBL20174329 0.93 PDK2 (0.35) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL20174404 0.93 PDK2 (0.35) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL20174317 0.92 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL20174372 0.92 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL20174388 0.91 PDK2 (0.33) PDK2PLA2G2APLA2G4A
SCHEMBL20174397 0.91 PDK2 (0.33) PDK2PLA2G2APLA2G4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALDH1A1 33/4885KDM4E 3633/4885HSD17B10 1154/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.